3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide

C11H22O4S2 — CID 138473496

IUPAC3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide
SMILESCC1CCS(=O)(=O)C1.CC1CS(=O)(=O)CC1C
InChIInChI=1S/C6H12O2S.C5H10O2S/c1-5-3-9(7,8)4-6(5)2;1-5-2-3-8(6,7)4-5/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3
InChIKeyBFSVMCZITBSIJJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.13
Rot. Bonds

About 3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide

3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide (PubChem CID 138473496) has the molecular formula C11H22O4S2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide
PubChem CID138473496
Molecular FormulaC11H22O4S2
Molecular Weight282.43 g/mol
Exact Mass282.10
IUPAC Name3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide
SMILESCC1CCS(=O)(=O)C1.CC1CS(=O)(=O)CC1C
InChIInChI=1S/C6H12O2S.C5H10O2S/c1-5-3-9(7,8)4-6(5)2;1-5-2-3-8(6,7)4-5/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3
InChIKeyBFSVMCZITBSIJJ-UHFFFAOYSA-N
XLogP1.13
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide?
The IUPAC name of 3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide (CID 138473496) is 3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide.
What is the SMILES notation for 3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide?
The canonical SMILES for 3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide is CC1CCS(=O)(=O)C1.CC1CS(=O)(=O)CC1C.
What is the InChIKey of 3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide?
The InChIKey is BFSVMCZITBSIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S.C5H10O2S/c1-5-3-9(7,8)4-6(5)2;1-5-2-3-8(6,7)4-5/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of 3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide?
3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide has a molecular weight of 282.43 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide is sourced from PubChem (CID 138473496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).